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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50399332'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50399332
PNG
(CHEMBL2180881 | US9364459, E)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)18(13)28-3)15-16(20(25)23-19(15)24)11-9-22-12-5-4-6-21-17(11)12/h4-9,22H,1-3H3,(H,23,24,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Johannes Gutenberg University of Mainz

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


J Med Chem 55: 9531-40 (2012)


Article DOI: 10.1021/jm301217c
BindingDB Entry DOI: 10.7270/Q21C1Z0P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50399332
PNG
(CHEMBL2180881 | US9364459, E)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13|
Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)18(13)28-3)15-16(20(25)23-19(15)24)11-9-22-12-5-4-6-21-17(11)12/h4-9,22H,1-3H3,(H,23,24,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 215n/an/an/an/an/an/a



Johannes Gutenberg-Universität Mainz; Universitätsmedizin der Johannes Gutenberg-Universität Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US9364459 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FK2
More data for this
Ligand-Target Pair